3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide

C13H17BrClNO2 — CID 103841773

IUPAC3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Br)c1)C(C)COC
InChIInChI=1S/C13H17BrClNO2/c1-4-16(9(2)8-18-3)13(17)10-5-6-12(15)11(14)7-10/h5-7,9H,4,8H2,1-3H3
InChIKeyOUJAXDMJTAKAFI-UHFFFAOYSA-N
MW334.64 g/mol
LogP3.60
Rot. Bonds5

About 3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide

3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide (PubChem CID 103841773) has the molecular formula C13H17BrClNO2 and a molecular weight of 334.64 g/mol. Its IUPAC name is 3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
PubChem CID103841773
Molecular FormulaC13H17BrClNO2
Molecular Weight334.64 g/mol
Exact Mass333.01
IUPAC Name3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
SMILESCCN(C(=O)c1ccc(Cl)c(Br)c1)C(C)COC
InChIInChI=1S/C13H17BrClNO2/c1-4-16(9(2)8-18-3)13(17)10-5-6-12(15)11(14)7-10/h5-7,9H,4,8H2,1-3H3
InChIKeyOUJAXDMJTAKAFI-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.64
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-chloro-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)benzamide
CID 103841754
6-bromo-N-ethyl-N-(1-methoxypropan-2-yl)naphthalene-2-carboxamide
CID 115283107
3,5-dibromo-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 103908083
4-bromo-N-ethyl-N-(1-methoxypropan-2-yl)-3-nitrobenzamide
CID 60741118
4-amino-3,5-dichloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 82833134
N-ethyl-4-hydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 55008658
3-bromo-4-chloro-N,N-bis(2-methoxyethyl)benzamide
CID 103841549
3-bromo-4-chloro-N,N-bis(2-methylpropyl)benzamide
CID 107999335
3-bromo-4-chloro-N-(2-chloroethyl)-N-propan-2-ylbenzamide
CID 107993605
3-bromo-4-chloro-N-methyl-N-pentan-2-ylbenzamide
CID 103841633
3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 54942871
N-ethyl-3-hydroxy-N-(1-methoxypropan-2-yl)-4-nitrobenzamide
CID 102741640

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The IUPAC name of 3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide (CID 103841773) is 3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide.
What is the SMILES notation for 3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The canonical SMILES for 3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide is CCN(C(=O)c1ccc(Cl)c(Br)c1)C(C)COC.
What is the InChIKey of 3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
The InChIKey is OUJAXDMJTAKAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClNO2/c1-4-16(9(2)8-18-3)13(17)10-5-6-12(15)11(14)7-10/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide?
3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide has a molecular weight of 334.64 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-chloro-N-ethyl-N-(1-methoxypropan-2-yl)benzamide is sourced from PubChem (CID 103841773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).